4-[2-(3-chlorothiophene-2-carbonyl)hydrazinyl]benzenesulfonamide

C11H10ClN3O3S2 — CID 2811807

IUPAC4-[2-(3-chlorothiophene-2-carbonyl)hydrazinyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NNC(=O)c2sccc2Cl)cc1
InChIInChI=1S/C11H10ClN3O3S2/c12-9-5-6-19-10(9)11(16)15-14-7-1-3-8(4-2-7)20(13,17)18/h1-6,14H,(H,15,16)(H2,13,17,18)
InChIKeyFXEHYORUAWPJNZ-UHFFFAOYSA-N
MW331.81 g/mol
LogP1.81
Rot. Bonds4

About 4-[2-(3-chlorothiophene-2-carbonyl)hydrazinyl]benzenesulfonamide

4-[2-(3-chlorothiophene-2-carbonyl)hydrazinyl]benzenesulfonamide (PubChem CID 2811807) has the molecular formula C11H10ClN3O3S2 and a molecular weight of 331.81 g/mol. Its IUPAC name is 4-[2-(3-chlorothiophene-2-carbonyl)hydrazinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(3-chlorothiophene-2-carbonyl)hydrazinyl]benzenesulfonamide
PubChem CID2811807
Molecular FormulaC11H10ClN3O3S2
Molecular Weight331.81 g/mol
Exact Mass330.99
IUPAC Name4-[2-(3-chlorothiophene-2-carbonyl)hydrazinyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NNC(=O)c2sccc2Cl)cc1
InChIInChI=1S/C11H10ClN3O3S2/c12-9-5-6-19-10(9)11(16)15-14-7-1-3-8(4-2-7)20(13,17)18/h1-6,14H,(H,15,16)(H2,13,17,18)
InChIKeyFXEHYORUAWPJNZ-UHFFFAOYSA-N
XLogP1.81
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.81
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-chlorothiophene-2-carbonyl)hydrazinyl]benzenesulfonamide?
The IUPAC name of 4-[2-(3-chlorothiophene-2-carbonyl)hydrazinyl]benzenesulfonamide (CID 2811807) is 4-[2-(3-chlorothiophene-2-carbonyl)hydrazinyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(3-chlorothiophene-2-carbonyl)hydrazinyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(3-chlorothiophene-2-carbonyl)hydrazinyl]benzenesulfonamide is NS(=O)(=O)c1ccc(NNC(=O)c2sccc2Cl)cc1.
What is the InChIKey of 4-[2-(3-chlorothiophene-2-carbonyl)hydrazinyl]benzenesulfonamide?
The InChIKey is FXEHYORUAWPJNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O3S2/c12-9-5-6-19-10(9)11(16)15-14-7-1-3-8(4-2-7)20(13,17)18/h1-6,14H,(H,15,16)(H2,13,17,18).
What are the key properties of 4-[2-(3-chlorothiophene-2-carbonyl)hydrazinyl]benzenesulfonamide?
4-[2-(3-chlorothiophene-2-carbonyl)hydrazinyl]benzenesulfonamide has a molecular weight of 331.81 g/mol, XLogP of 1.81, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-chlorothiophene-2-carbonyl)hydrazinyl]benzenesulfonamide is sourced from PubChem (CID 2811807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).